Hydrogen Reduction Research Articles

Thermal stable Pt clusters anchored by K/TiO2–Al2O3 for efficient cycloalkane dehydrogenation

Catalytic dehydrogenation of cycloalkanes is considered a valuable endothermic process for alleviating the thermal barrier issue of hypersonic vehicles. However, conventional Pt-based catalysts often face the severe problem of metal sintering under high-temperature conditions. Herein, we develop an efficient K2CO3-modified Pt/TiO2–Al2O3 (K–Pt/TA) for cycloalkane dehydrogenation. The optimized K–Pt/TA showed a high specific activity above 27.9 mol·mol−1·s−1(H2/Pt), with toluene selectivity above 90.0% at 600 °C with a high weight hourly space velocity of 266.4 h−1. The introduction of alkali metal ions could generate titanate layers after high-temperature hydrogen reduction treatment, which promotes the generation of oxygen vacancy defects to anchored Pt clusters. In addition, the titanate layers could weaken the surface acidity of catalysts and inhibit side reactions, including pyrolysis, polymerization, and isomerization reactions. Thus, this work provides a modification method to develop efficient and stable dehydrogenation catalysts under high-temperature conditions.

The Effect of Composition and Temperature on the Hydrogen Reduction Behavior of Sintered Pellets of Bauxite Residue-Lime Mixtures

This study explores the isothermal hydrogen reduction of sintered pellets made of a mixture of bauxite residue and calcite with varying compositions at different reduction temperatures. Sintered pellets with varying compositions show three primary iron-containing oxide phases including brownmillerite, srebrodolskite, and fayalite; however, brownmillerite is the major phase in all the sintered pellets. The sintered pellets were reduced in a thermogravimetry furnace to establish instantaneous weight reduction with respect to time. Phases and microstructural analysis were carried out using X-ray diffraction and scanning electron microscopy, respectively. Mercury intrusion porosimeter and pycnometer were utilized to assess the porosity and density of the reduced pellets. Thermochemistry calculations were performed using the thermodynamics software FactSage 8.2. The reduction rate is most pronounced at a temperature of 1000 °C for all pellet compositions. It is intriguing to note that the rate of reduction shows minimal variance across pellets with different compositions; however, the higher calcite pellets exhibit a higher initial rate of reduction. Various kinetic models were examined to determine the activation energies for three different composition pellets, and the three-dimensional diffusion model has been well suited for this process. Close activation energies in the range of 84.6 to 94.8 kJ were obtained. A slightly higher activation energy was obtained for lower CaCO3 added pellets, and it was attributed to their reduced porosity and increased sintering, impeding the reaction kinetics. There were no significant differences in the formation of mayenite with varying the calcite amount; however, higher calcite pellets indicated more mayenite formation.Graphical

Distribution Behavior of Impurities during the Hydrogen Reduction Ironmaking Process

The traditional blast furnace ironmaking process is the most widely used ironmaking process globally, yet it is associated with significant drawbacks, including high energy consumption and carbon emissions. To achieve low-carbon ironmaking, researchers have developed hydrogen ironmaking, which is capable of achieving lower CO2 emissions. Nevertheless, the distribution behavior of impurities has been less studied in the existing research on hydrogen ironmaking. Therefore, in this study, the factors affecting the slag properties and distribution of impurity elements during hydrogen ironmaking were investigated using FactSage, and smelting experiments were carried out. The results show that temperature has the greatest influence on the distribution behavior of the impurities, and excessively elevated temperatures result in the ingress of a significant quantity of impurities into the reduced iron. Reduced iron with a purity of 98.52% was obtained under the conditions of 10%, 10%, 2%, and 2% ratios of CaO, SiO2, MgO, and Al2O3, respectively, a hydrogen flow rate of 12 mL/min, and a temperature of 1400 °C; Lg L Mg, Lg L Al, Lg L Si, and Lg L Ca were 2.72, 2.41, 3.36, and 2.45, respectively (“L” stands for slag-to-metal ratio). The slag was mainly dominated by the silicate, and the iron was mainly lost in the form of mechanical inclusions in the slag. This study will enrich the basic theory of hydrogen ironmaking and is of great significance for the realization of carbon neutralization.

Chloride-Induced Stress Corrosion Cracking of Friction Stir-Welded 304L Stainless Steel: Effect of Microstructure and Temperature

Dry storage canisters of used nuclear fuels are fabricated using SUS 304L stainless steel. Chloride-induced stress corrosion cracking (CISCC) is one of the major failure modes of dry storage canisters. The cracked canisters can be repaired by friction stir welding (FSW), a low-heat input ‘solid-phase’ welding process. It is important to evaluate the ClSCC resistance of the friction stir welded material. Stress corrosion cracking (SCC) studies were carried out on mill-annealed base materials and friction stir welded 304L stainless U-bend specimens in 3.5% NaCl + 5 N H2SO4 solution at room temperature and boiling MgCl2 solution at 155 °C. The engineering stress on the outer fiber of the FSW U-bend specimen was ~60% higher than that of the base metal (BM). In spite of the higher stress level of the FSW, both materials (FSW and BM) showed almost similar SCC failure times in the two different test solutions. The SCC occurred in the thermo-mechanically affected zone (TMAZ) of the FSW specimens in the 3.5% NaCl + 5 N H2SO4 solution at room temperature, while the stirred zone (SZ) was relatively crack-free. The failure occurred at the stirred zone when tested in the boiling MgCl2 solution. Hydrogen reduction was the cathodic reaction in the boiling MgCl2 solution, which promoted hydrogen-assisted cracking of the heavily deformed stirred zone. The emergence of the slip step followed by passive film rupture and dissolution of the slip step could be the SCC events in the 3.5% NaCl + 5 N H2SO4 solution at room temperature. However, the slip step height was not sufficient to cause passivity breakdown in the fine-grained SZ. Therefore, the SCC occurred in the partially recrystallized softer TMAZ. Overall, the friction-stirred 304L showed higher tolerance to ClSCC than the 304L base metal.

Effect of the introduction of Zn on the electronic state of copper species in Cu-exchanged mordenite

This work evaluated the effect of Zn on the electronic state of copper in the Cu-Zn-mordenite binary system. The samples were prepared in two stages by sequential ion exchange of the initial sodium mordenite, using aqueous solutions of sulfate salts of these two metals, and changing the order of introduction of each of the cations, first Cu2+ and then Zn2+, or in the inverse order. The content of Zn and Cu changed within the 0.02–3.14 wt% interval at various Zn/Cu ratios. The prepared samples were characterized with UV–Vis spectroscopy in situ during temperature-programed oxidation (TPO) in oxygen, temperature-programed reduction (TPR) in hydrogen, and temperature-programed adsorption and desorption of NO (TPD). Cu and Zn have different affinities to mordenite, resulting in competition between them for zeolites sites, their redistribution, and formation of bimetallic Cu-O-Zn species. The order of ion-exchange makes it possible to modify the nature and the relative content of these metal species. Electronic properties of the resulting copper species strongly depend on both the Zn/Cu ratio and the order of exchange of metal ions. The knowledge we have obtained will be useful for designing of new effective catalysts based on copper-exchanged zeolites.

Controlling the CO2 Reduction Reaction through Dual‐Atom Catalysts Embedded in Expanded Porphyrins: A DFT Study

In the pursuit of innovative molecular catalysts for the electrocatalytic reduction of CO2, we employed computational methodologies to investigate six Cu‐based expanded porphyrin dual‐atom catalysts (DACs). Our study revealed both large and small variations among the different DACs. Despite metal center substitutions, the highly delocalized nature of the π orbitals in the expanded porphyrin complexes led to minimal differences between the frontier orbitals. Conversely, pronounced differences emerged during hydrogen reduction. Notably, the formation of H2 exhibited low limiting potentials ranging from 0.13 to 0.43 eV, attributable to the ligand‐centered activity of the expanded porphyrin. Similar limiting potentials (< 0.31 eV) for CO2 reduction indicate competition between the two reduction processes. This can be attributed to the emergence of highly favorable bridging μ2 intermediates, exemplified by *OCHO and *OH. The preference for these intermediates is expected to lead to the formation of only 2e‐ and 4e‐ products, namely H2, HCOOH and H2CO. Specifically, CuFe and CuMn DACs are poised to favor CO2 reduction to produce HCOOH and H2CO, while CuCo, CuCu, and CuZn DACs are anticipated to favor the production of H2.

Modified Janus silica-based sheets stable stimulus-responsive Pickering emulsion: An excellent recycling platform for tandem reaction

To accommodate the advancement of green chemistry and further enhance hydrogen utilization efficiency and organic compound conversion in reactions, a smart Pickering emulsion stabilized by modified Janus silica particles was successfully prepared for the tandem reaction of ammonia borane hydrolysis and organic hydrogenation reduction. The emulsion has been confirmed to possess high stability and rapid stimulus responsiveness. The high stability and large oil-water interface area of Pickering emulsions, along with their low energy demulsification method, provide an excellent reaction platform and catalyst in situ recovery strategy for tandem reactions. Moreover, the anisotropy of Janus particles facilitates the progression of tandem reactions, mitigating the waste associated with "sacrifice" mechanisms and averting hydrogen loss. Experimental results demonstrate that even when the molar amount of hydrogen released from ammonia borane is comparable to that of organic compounds, organic compounds still achieve a conversion rate of 99 %, with a hydrogen utilization efficiency 3–4 times higher than that of conventional two-phase systems. By simply adjusting the pH, the catalyst can be recovered in situ for the next cycle. Even after 5 cycles, a high conversion rate of organic compounds is maintained.

Copper‐based nanocatalysts toward chemoselective hydrogenation reaction

AbstractCu‐based catalysts are widely used in various heterogeneous catalytic reaction systems, the precise control of their electronic structure is an intrinsic requirement for the rational design of metal catalysts, and it is also an important basis for clarifying their structure‐activity relationships. Changing the electronic structure of Cu‐based catalysts is an important way to improve the catalytic hydrogenation performance of Cu‐based catalysts by controlling the adsorption intensity between the reaction adsorbate and the active center. In this paper, the application of selective hydrogenation of Cu‐based catalysts is reviewed, with a special emphasis on the selective catalytic hydrogenation reduction of p‐nitrostyrene and CO2. This review particularly emphasizes the application of Cu‐based catalysts in the field of selective hydrogenation and discusses the influence of their different properties on selective hydrogenation performance.

Mechanism study on CO2 hydrogenation to methanol on Cu5/TiO2 catalyst

Copper clusters supported on TiO2 have demonstrated exceptional performance in catalyzing the reduction of CO2. However, there is a lack of detailed studies on the underlying mechanism. In this study, we employ first-principles thermodynamics and kinetic calculations to unveil the catalytic reduction mechanism of CO2 to C1 product on the Cu5/TiO2 catalyst. Our calculations reveal that the interaction between the cluster and the support significantly enhances the chemical adsorption of CO2 and lowers the dissociation barrier of H2, creating favorable conditions for hydrogenation reduction of CO2. Additionally, our findings suggest that the Cu5 cluster also significantly enhances the adsorption of *CO intermediates, resulting in a preference for the RWGS pathway over the formate pathway for CO2 reduction. The rate-determining barrier for CH3OH formation is considerably lower than that for CH4 formation, indicating that Cu5/TiO2 exhibits remarkable CO2 conversion performance with nearly 100 % selectivity towards CH3OH production.

Tailoring the electronic structure of Fe–N4 sites via heteroatom modification strategy for boosting oxygen reduction in hydrogen fuel cells: A density functional theory study

Heteroatoms-modified Fe–N–C catalysts have garnered significant attention for enhancing the oxygen reduction reaction (ORR). However, revealing the correlation between the type of heteroatoms used for doping and catalytic performance still faces significant challenges. Herein, based on the density functional theory (DFT), a series of heteroatom-modified Fe–N–C models with the tailored Fe–N4-X (X = S, P or B) site are constructed to explore the regulatory mechanism of heteroatoms on the electronic structure and adsorption behavior of Fe centers. Theoretical calculations reveal that the doping of S atoms can optimize the electronic environment of Fe atoms, thus leading the favorable interaction between Fe–N4–S site and OH intermediates. As a result, the Fe–N4–S site possess a lower energy barrier for the desorption of OH* than that of Fe–N4–B and Fe–N4–P, indicating higher catalytic activity and kinetics of S-modified Fe–N–C catalysts.

Strategic band alignment of zinc oxide photoanode with fibrous silica framework for enhanced photoelectrochemical water splitting efficiency

The urgent need to address both energy demand and environmental concerns has led to the exploration of solar energy utilization in photoelectrochemical (PEC) water splitting. The novelty of fibrous silica zinc oxide photoanode (FSZn) was introduced in this groundbreaking study, synthesized using the meticulous microemulsion method. Our investigation reveals the exceptional properties of FSZn using a comprehensive range of analytical techniques, including FESEM, FTIR, XRD, UV–Vis/DRS TEM, and N2 adsorption–desorption tests. The distinctive features of FSZn arise from its intricate bicontinuous concentric lamellar structure, resulting in a narrow bandgap and a vast surface area. Notably, FSZn exhibits a remarkable photocurrent density of 17.88 mA/cm2, surpassing that of conventional ZnO, which only yields 6.28 mA/cm2. Furthermore, FSZn achieves an impressive solar-to-hydrogen (STH) efficiency of 22.0 %. The favourable alignment of FSZn’s conduction band with the hydrogen reduction potential, which facilitates swift and efficient charge transfer processes conducive to spontaneous hydrogen generation, is responsible for this remarkable performance. The successful development of FSZn represents a significant milestone, offering valuable insights for advancing high-performance photoanodes. By significantly enhancing the efficiency of photoanodes in PEC water splitting processes, FSZn holds promise for accelerating the transition towards sustainable energy solutions.

Metal-organic frameworks derived low-cost Cu-doped Co3O4 for efficient reduction of ultra-low nitrate concentrations to ammonia

The electrochemical reduction of nitrate to ammonia represents a potential approach for the valorization of waste, offering the dual benefit of mitigating various environmental concerns and concurrently yielding the valuable product of ammonia. However, on the way to its further application, the lacking of low-cost and efficient electrocatalysts under low nitrate concentrations is still one pressing issue because of the intense hydrogen evolution reaction (HER) competition and many by-products. Herein, metal–organic frameworks (MOF) derived low-cost Cu-Co3O4/NF exhibits excellent electrocatalytic activity in the low nitrate concentrations (2 mmol/L), attaining the ammonia yield rate of 0.076 mmol h−1 cm−2 and 92.4 % Faradic efficiency at −0.53 V vs. RHE. The combined results of In-situ FTIR and theoretical calculation reveal the atomic hydrogen reduction pathway, decrease in free energy of intermediate reactions and inhibition of HER of Cu-Co3O4/NF. This work introduces one economical, efficient and simple strategy and further demonstrates the superior effect of MOF derivatives in fascinating low nitrate concentration reduction to ammonia.

Techno-Economic Assessment of a Full-Chain Hydrogen Production by Offshore Wind Power

Offshore wind power stands out as a promising renewable energy source, offering substantial potential for achieving low carbon emissions and enhancing energy security. Despite its potential, the expansion of offshore wind power faces considerable constraints in offshore power transmission. Hydrogen production derived from offshore wind power emerges as an efficient solution to overcome these limitations and effectively transport energy. This study systematically devises diverse hydrogen energy supply chains tailored to the demands of the transportation and chemical industries, meticulously assessing the levelized cost of hydrogen (LCOH). Our findings reveal that the most cost-efficient means of transporting hydrogen to the mainland is through pipelines, particularly when the baseline distance is 50 km and the baseline electricity price is 0.05 USD/kWh. Notably, delivering hydrogen directly to the port via pipelines for chemical industries proves considerably more economical than distributing it to hydrogen refueling stations, with a minimal cost of 3.6 USD/kg. Additionally, we assessed the levelized cost of hydrogen (LCOH) for supply chains that transmit electricity to ports via submarine cables before hydrogen production and subsequent distribution to chemical plants. In comparison to offshore hydrogen production routes, these routes exhibit higher costs and reduced competitiveness. Finally, a sensitivity analysis was undertaken to scrutinize the impact of delivery distance and electricity prices on LCOH. The outcomes underscore the acute sensitivity of LCOH to power prices, highlighting the potential for substantial reductions in hydrogen prices through concerted efforts to lower electricity costs.

Interfacial electronic structure modulations of Au@CuS with defective Ni-doped CoS2 facilitates the electroreduction of N2 into NH3

The nitrogen reduction reaction (NRR) offers a sustainable pathway for ammonia production. However, its effectiveness is hindered by the selective adsorption of nitrogen and the subsequent occurrence of the hydrogen evolution reaction. In this work, a novel and efficient NRR catalyst, Au@CuS heterostructured nanoparticles supported on carbon-coated Ni-doped CoS2 hollow nanocages (Au@CuS/Ni-CoS2/C), was designed and synthesized to enhance the conversion of N2 to NH3 under ambient conditions. The defective Ni-CoS2@C nanocages not only provide a larger surface area for the loading of Au@CuS nanoparticles but also improve conductivity and promote synergistic effects among different components within catalyst. Both experimental investigations and density functional theory (DFT) calculations reveal that the integration of Au and CuS leads to unique inorganic donor–acceptor couplings with electron enriched in Au nanoparticles due to the higher work function of Au compared to CuS. This electron enrichment expedites the adsorption and dissociation of N2 molecules over the electron-rich Au active sites, thereby significantly optimizing the adsorption of intermediates and catalyzing subsequent hydrogenation reduction processes. Benefiting from these synergistic advantages, the resulting Au@CuS/Ni-CoS2/C catalyst exhibited high NRR electrocatalytic activity with a maximum NH3 yield of 25.61 µg h−1 mg−1cat. and a Faraday efficiency of 14.99 % at –0.3 V (vs. reversible hydrogen electrode, RHE), surpassing those of Au@CuS, Ni-CoS2/C, and Au/Ni-CoS2/C. This work presents a new strategy for precisely adjusting the valence state of Au species, thereby facilitating the production of valuable ammonia through NRR.

Regular study of lanthanide oxides for boosting photocatalytic hydrogen production on ZnIn2S4 photocatalysts

Lanthanide oxides have potential advantages for photocatalytic hydrogen production. To systematically investigate the photocatalytic performance of lanthanide oxides on metal sulfides, a series of LnxOy/ZnIn2S4 (LnxOy/ZIS) were synthesized by hydrothermal method. Comprehensive characterization demonstrated that LnxOy synergistically improved the performance of ZnIn2S4 by extending light absorption, reducing contact interface resistance and enhancing carrier separation. The photocatalytic hydrogen evolution (PHE) rates of the LnxOy/ZIS photocatalysts were improved, which were 1.6–4.2 times higher than those of pure ZnIn2S4 (198.0 μmol g−1 h−1). The PHE rates of LnxOy/ZIS decreased with increasing lanthanide atomic number, and when the lanthanides contained variable valence ions, the PHE rates of LnxOy/ZIS were superior to those of neighbouring lanthanides. The heterojunction formed by LnxOy and ZnIn2S4 effectively promoted carrier separation. Lanthanide ions with unoccupied 4 f orbital were more likely to accept electrons and served as a hydrogen adsorption site for further hydrogen reduction. Multivalent ions could also promote the migration of electrons and generate oxygen vacancies to inhibit the recombination of carriers. In conclusion, for ZnIn2S4, lanthanide oxides are promising candidates to improve the performance of PHE. This study provides guidance on the selection of appropriate lanthanide oxides for the construction of efficient sulphur-based heterojunction photocatalysts.

Catalytic reduction of U(Ⅵ) to U(Ⅳ) using hydrogen as the sole reducing agent

Using hydrogen gas as a sole reducing agent to catalyze the reduction of hexavalent uranium to prepare tetravalent uranium can avoid the problem of pollutant poisoning catalysts caused by hydrazine reducing agents. However, research using only hydrogen as the sole reducing agent is very scarce. Herein, catalyst has been developed for catalytic hydrogen reduction to prepare uranium(Ⅳ) and a systematic study of the influence of process parameters such as catalyst carrier particle size, temperature, pressure, and acidity on the catalytic hydrogen reduction process for the preparation of uranium(Ⅳ) is presented. The effect of catalyst carrier particle size is particularly pronounced due to the differing rates of molecular diffusion. Fine particle-sized catalyst carriers exhibit faster catalytic reaction kinetics. Temperature exhibits an unusual phenomenon in its impact on the reaction process. As temperature increases, the reaction rate decreases, and an upper limit reaction temperature is observed. Furthermore, at excessively high reaction temperatures, an anomalous occurrence of uranium(Ⅳ) formation followed by disappearance was observed. Through an analysis of the reaction mechanism, the underlying reasons for this abnormal phenomenon are elucidated. Additionally, this paper also reveals that reaction rates increase with increasing reaction pressure and decrease with decreasing raw material acidity. Process parameters such as reaction temperature, pressure, and acidity exhibit coupled effects on the reaction process. Different reaction upper limit temperatures are observed under varying pressures and raw material acidities.

An Overview Analysis of Current Research Status in Iron Oxides Reduction by Hydrogen

This paper focuses on the study of current knowledge regarding the use of hydrogen as a reducing agent in the metallurgical processes of iron and steel production. This focus is driven by the need to introduce environmentally suitable energy sources and reducing agents in this sector. This theoretical study primarily examines laboratory research on the reduction of Fe-based, metal-bearing materials. The article presents a critical analysis of the reduction in iron oxides using hydrogen, highlighting the advantages and disadvantages of this method. Most experimental facilities worldwide employ their unique original methodologies, with techniques based on Thermogravimetric analysis (TGA) devices, fluidized beds, and reduction retorts being the most common. The analysis indicates that the mineralogical composition of the Fe ores used plays a crucial role in hydrogen reduction. Temperatures during hydrogen reduction typically range from 500 to 900 °C. The reaction rate and degree of reduction increase with higher temperatures, with the transformation of wüstite to iron being the slowest step. Furthermore, the analysis demonstrates that reduction of iron ore with hydrogen occurs more intensively and quickly than with carbon monoxide (CO) or a hydrogen/carbon monoxide (H2/CO) mixture in the temperature range of 500 °C to 900 °C. The study establishes that hydrogen is a superior reducing agent for iron oxides, offering rapid reduction kinetics and a higher degree of reduction compared to traditional carbon-based methods across a broad temperature range. These findings underscore hydrogen’s potential to significantly reduce greenhouse gas emissions in the steel production industry, supporting a shift towards more sustainable manufacturing practices. However, the implementation of hydrogen as a primary reducing agent in industrial settings is constrained by current technological limitations and the need for substantial infrastructural developments to support large-scale hydrogen production and utilization.

Microstructure and phase evolution of Fe-20Ni-20W foams during high-temperature redox cycling

Freeze-cast Fe-20Ni-20 W (at%) foams suitable for high-temperature redox cycling show excellent microstructural stability and regenerative porosity formation, but they exhibit slower reduction kinetics as compared to previously studied Fe-25 W foams. The Fe-20Ni-20 W lamellar foams, after initial hydrogen reduction, consist of a two-phase mixture of µ-Fe7W6 and γ-Fe(Ni,W), with significant microporosity due to the sintering inhibition of W. During oxidation by steam at 800 °C, these phases are oxidized to a three-phase mixture of (Fe,Ni)WO4, Fe3O4, and γ-Ni(Fe); upon subsequent reduction by H2, the foams return to their initial composition. The chemical vapor transport reduction of FeWO4 results in the formation of submicron pores during each reduction half-cycle which accelerate subsequent reaction and limit sintering in the reduced state. The reduction of mixed oxide is relatively sluggish, which is likely due to the increased stability of the (Fe,Ni)WO4 phase brought on by the substitution of Ni in Fe sites in FeWO4.

Constructing Ru-O-TM Bridge in NiFe-LDH Enables High Current Hydrazine-assisted H2 Production.

Hydrazine oxidation-assisted water splitting is a critical technology to tackle the high energy consumption in large-scale H2 production. Ru-based electrocatalysts hold promise for synergetic hydrogen reduction (HER) and hydrazine oxidation (HzOR) catalysis but are hindered by excessive superficial adsorption of reactant intermediate. Herein, this work designs Ru cluster anchoring on NiFe-LDH (denoted as Ruc/NiFe-LDH), which effectively enhances the intermediate adsorption capacity of Ru by constructing Ru─O─Ni/Fe bridges. Notably, it achieves an industrial current density of 1Acm-2 at an unprecedentedly low voltage of 0.43V, saving 3.94kWh m-3 H2 in energy, and exhibits remarkable stability over 120 h at a high current density of 5 A cm-2. Advanced characterizations and theoretical calculation reveal that the presence of Ru─O─Ni/Fe bridges widens the d-band width (Wd) of the Ru cluster, leading to a lower d-band center and higher electron occupation on antibonding orbitals, thereby facilitating moderate adsorption energy and enhanced catalytic activity of Ru.

Is Ba3In2O6 a high-Tc superconductor?

It has been suggested that Ba3In2O6 might be a high-Tc superconductor. Experimental investigation of the properties of Ba3In2O6 was long inhibited by its instability in air. Recently epitaxial Ba3In2O6 with a protective capping layer was demonstrated, which finally allows its electronic characterization. The optical bandgap of Ba3In2O6 is determined to be 2.99 eV in-the (001) plane and 2.83 eV along the c-axis direction by spectroscopic ellipsometry. First-principles calculations were carried out, yielding a result in good agreement with the experimental value. Various dopants were explored to induce (super-)conductivity in this otherwise insulating material. Neither A- nor B-site doping proved successful. The underlying reason is predominately the formation of oxygen interstitials as revealed by scanning transmission electron microscopy and first-principles calculations. Additional efforts to induce superconductivity were investigated, including surface alkali doping, optical pumping, and hydrogen reduction. To probe liquid-ion gating, Ba3In2O6 was successfully grown epitaxially on an epitaxial SrRuO3 bottom electrode. So far none of these efforts induced superconductivity in Ba3In2O6, leaving the answer to the initial question of whether Ba3In2O6 is a high-Tc superconductor to be ‘no’ thus far.